Tan Lab | DSigDB

Gene Set: D4 : CTD - dyclonine

Collection

D4 : CTD

Chemical Name

dyclonine ( From PubChem : DYCLONINE )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
289.412 g/mol	0	3	3.8621	True

Structure

InChI

InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3

InChIKey

Links

Gene (8 / 21)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			SLC22A2		C100063
CTD	increases(uptake)			SLC22A2		C100063
PubChem	Potency	uM	0.224	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	0.794	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	3.162	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	11.374	GMNN	-	GI(Protien) :
PubChem	Potency	uM	3.981	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	223.900	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	794.200	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	AC50	nM	3162.280	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	2511.890	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	2511.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	5011.870	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	5011.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3162.300	EHMT2	-	Target : CHEMBL6032

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